2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C23H16N4O2 — CID 1151462

IUPAC2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2cc(-c3nnc(-c4ccncc4)o3)c3ccccc3n2)cc1
InChIInChI=1S/C23H16N4O2/c1-28-17-8-6-15(7-9-17)21-14-19(18-4-2-3-5-20(18)25-21)23-27-26-22(29-23)16-10-12-24-13-11-16/h2-14H,1H3
InChIKeyAIWNODOLOXTCLJ-UHFFFAOYSA-N
MW380.41 g/mol
LogP5.02
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 1151462) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID1151462
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCOc1ccc(-c2cc(-c3nnc(-c4ccncc4)o3)c3ccccc3n2)cc1
InChIInChI=1S/C23H16N4O2/c1-28-17-8-6-15(7-9-17)21-14-19(18-4-2-3-5-20(18)25-21)23-27-26-22(29-23)16-10-12-24-13-11-16/h2-14H,1H3
InChIKeyAIWNODOLOXTCLJ-UHFFFAOYSA-N
XLogP5.02
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 1151462) is 2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is COc1ccc(-c2cc(-c3nnc(-c4ccncc4)o3)c3ccccc3n2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is AIWNODOLOXTCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c1-28-17-8-6-15(7-9-17)21-14-19(18-4-2-3-5-20(18)25-21)23-27-26-22(29-23)16-10-12-24-13-11-16/h2-14H,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 380.41 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)quinolin-4-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 1151462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).